Assessing the validity of QSARs for ready biodegradability of chemicals: An applicability domain perspective

Current Computer-Aided Drug Design

Volumn 10, Issue 2, 2014, Pages 137-147

  Sahigara, Faizan ^a   Ballabio, Davide ^a   Todeschini, Roberto ^a   Consonni, Viviana ^a  

^a UNIVERSITY OF MILANO BICOCCA   (Italy)

Author keywords

Applicability domain; Biodegradability; Local centred mahalanobis distance; Model validation; QSAR

Indexed keywords

COMPUTATIONAL CHEMISTRY; MOLECULES;

APPLICABILITY DOMAIN; CLASSIFICATION MODELS; DECISION CRITERIONS; DOMAIN APPROACH; LOCAL-CENTERED MAHALANOBI DISTANCE; MAHALANOBIS DISTANCES; MODEL DEVELOPMENT; MODEL VALIDATION; QSAR; TEST MOLECULES;

BIODEGRADABILITY;

ARTICLE; BIOCHEMICAL OXYGEN DEMAND; BIODEGRADABILITY; CLASSIFICATION; COMPUTER PROGRAM; DISCRIMINANT ANALYSIS; K NEAREST NEIGHBOR; MOLECULAR MODEL; QUANTITATIVE STRUCTURE ACTIVITY RELATION; STATISTICAL MODEL; SUPPORT VECTOR MACHINE; VALIDATION PROCESS; BIOLOGICAL MODEL; BIOREMEDIATION; CHEMISTRY; COMPUTER SIMULATION; METABOLISM; POLLUTANT;

POLLUTANT;

BIODEGRADATION, ENVIRONMENTAL; COMPUTER SIMULATION; ENVIRONMENTAL POLLUTANTS; MODELS, BIOLOGICAL; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; SOFTWARE;

EID: 84904763709     PISSN: 15734099     EISSN: 18756697     Source Type: Journal    
DOI: 10.2174/1573409910666140410110241     Document Type: Article

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